(E)-3-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile hydrochloride

Systemtic Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile hydrochloride Openeye Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile hydrochloride CAS Name: (E)-3-(4-fluorophenyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile hydrochloride IUPAC Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile hydrochloride Traditional Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)acrylonitrile hydrochloride Formula: C15H17ClFN3O MolecularWeight: 309.766383

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)F)C#N.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)F)/C#N.Cl

InChI

InChI=1S/C15H16FN3O.ClH/c1-18-6-8-19(9-7-18)15(20)13(11-17)10-12-2-4-14(16)5-3-12;/h2-5,10H,6-9H2,1H3;1H/b13-10+;